compound 0060549

Properties Image MNX_ID MNXM1196981 reference envipathM:...72b59119fbad formula C8H13O3 global charge -1 mol weight 157.189 InChIKey JSSAFFBPWSICEY-UHFFFAOYSA-M InChI InChI=1S/C8H14O3/c1-2-4-7(8(10)11)5-3-6-9/h6-7H,2-5H2,1H3,(H,10,11)/p-1 SMILES CCCC(CCC=O)C(=O)[O-] MNX internals InChI (mnx) InChI=1/C8H14O3/c1-2-4-7(8(10)11)5-3-6-9/h6-7H,2-5H2,1H3,(H,10,11)/t7? SMILES (mnx) [CH3:1][CH2:2][CH2:4][CH:7]([CH2:5][CH2:3][CH:6]=[O:9])[C:8](=[O:10])[OH:11]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0